1.0 2010-04-08 22:07:43 UTC 2025-11-18 23:05:13 UTC FDB007672 Hept-4-en-2-ol Hept-4-en-2-ol is soluble (in water) and an extremely weak acidic compound (based on its pKa). Hept-4-en-2-ol can be found in corn, which makes hept-4-en-2-ol a potential biomarker for the consumption of this food product. (4E)-4-hexen-2-ol C6H12O 100.1589 100.088815006 (4E)-hex-4-en-2-ol (4E)-hex-4-en-2-ol C\C=C\CC(C)O InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-4,6-7H,5H2,1-2H3/b4-3+ CKWLIPZHAXWCLG-ONEGZZNKSA-N belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). Secondary alcohols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Hydrocarbon derivative Secondary alcohol logp 1.79 ALOGPS logs -0.62 ALOGPS solubility 2.38e+01 g/l ALOGPS logp 1.3 ChemAxon pka_strongest_acidic 17.64 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac (4E)-hex-4-en-2-ol ChemAxon average_mass 100.1589 ChemAxon mono_mass 100.088815006 ChemAxon smiles C\C=C\CC(C)O ChemAxon formula C6H12O ChemAxon inchi InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-4,6-7H,5H2,1-2H3/b4-3+ ChemAxon inchikey CKWLIPZHAXWCLG-ONEGZZNKSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 32.27 ChemAxon polarizability 12.44 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 105234 Specdb::MsMs 105235 Specdb::MsMs 105236 Specdb::MsMs 171693 Specdb::MsMs 171694 Specdb::MsMs 171695 Specdb::MsMs 3604220 Specdb::MsMs 3604221 Specdb::MsMs 3604222 Specdb::MsMs 3604223 Specdb::MsMs 3604224 Specdb::MsMs 3604225 Corn Type 1 specific Zea mays 4577 9200.0 12000.0 6400.0 mg/100 g